| SpectraBase Compound ID | IGqOOSyy4Bk |
|---|---|
| InChI | InChI=1S/C11H7NOS2/c1-2-8-4-3-5-9(6-8)12-10(13)7-15-11(12)14/h1,3-6H,7H2 |
| InChIKey | DBZDKCKQWHEAIU-UHFFFAOYSA-N |
| Mol Weight | 233.3 g/mol |
| Molecular Formula | C11H7NOS2 |
| Exact Mass | 232.996906 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HX6SiI4BimO |
|---|---|
| Name | 3-(m-Ethynylphenyl)rhodanine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.996906196 u |
| Formula | C11H7NOS2 |
| InChI | InChI=1S/C11H7NOS2/c1-2-8-4-3-5-9(6-8)12-10(13)7-15-11(12)14/h1,3-6H,7H2 |
| InChIKey | DBZDKCKQWHEAIU-UHFFFAOYSA-N |
| Molecular Weight | 233.303 g/mol |
| SMILES | C1=C(C=C(C=C1)N1C(SCC1=O)=S)C#C |
| Spectrum/Structure Validation Score (Raman) | 0.987392 |